#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 s GLY 2 N 0.00 1.68 0.09 3.03 0.00 -1.26 -5.09 107.32 105.77 2f76 s GLY 2 Ca 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.58 2f76 s GLY 2 CO 0.00 -0.28 -0.09 1.20 0.00 0.00 0.00 173.10 173.93 2f76 s GLN 3 N -5.69 0.79 0.23 2.90 -0.21 -1.26 -5.05 119.66 111.37 2f76 s GLN 3 Ca 0.74 -1.12 -0.04 0.00 0.02 0.00 0.00 55.36 54.95 2f76 s GLN 3 Cb -0.05 -0.43 0.22 0.00 1.00 0.00 0.00 33.01 33.75 2f76 s GLN 3 CO 0.55 0.06 1.69 1.49 -2.12 0.00 0.00 175.29 176.95 2f76 h GLU 4 N 3.61 0.86 -5.19 2.91 4.57 -2.11 -3.41 114.58 115.81 2f76 h GLU 4 Ca -0.37 -0.28 -0.63 0.00 -1.18 0.00 0.00 59.36 56.91 2f76 h GLU 4 Cb 1.19 -0.08 -0.18 0.00 -0.16 0.00 0.00 28.75 29.52 2f76 h GLU 4 CO 0.53 0.90 -0.59 -1.17 -1.18 0.00 0.00 179.01 177.50 2f76 s LEU 5 N -9.12 3.64 0.03 1.64 2.96 -1.26 -5.08 118.68 111.49 2f76 s LEU 5 Ca -0.10 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2f76 s LEU 5 Cb 0.14 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2f76 s LEU 5 CO 0.83 0.12 -0.07 -0.55 -1.32 0.00 0.00 176.35 175.36 2f76 s SER 6 N 0.71 0.75 0.52 3.68 0.15 -1.26 -5.03 113.70 113.22 2f76 s SER 6 Ca 0.03 -0.45 0.21 0.00 0.70 0.00 0.00 55.95 56.43 2f76 s SER 6 Cb -0.13 0.02 1.37 0.00 -1.71 0.00 0.00 66.02 65.56 2f76 s SER 6 CO 0.02 -0.16 2.12 1.56 1.20 0.00 0.00 173.24 177.99 2f76 h GLN 7 N 4.82 0.00 -0.56 5.44 4.20 -1.99 -1.62 115.11 125.39 2f76 h GLN 7 Ca -0.34 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.31 2f76 h GLN 7 Cb 1.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 2f76 h GLN 7 CO 0.43 0.07 0.10 1.25 -0.67 0.00 0.00 178.83 180.00 2f76 h HIS 8 N 0.00 0.93 -0.93 2.96 2.76 -2.00 -2.43 115.15 116.44 2f76 h HIS 8 Ca -0.00 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2f76 h HIS 8 Cb 0.14 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 28.79 2f76 h HIS 8 CO 0.00 0.80 0.57 0.93 -1.30 0.00 0.00 177.93 178.92 2f76 h GLU 9 N 0.84 1.26 -0.47 5.26 5.08 -1.71 -2.06 114.58 122.77 2f76 h GLU 9 Ca 0.18 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2f76 h GLU 9 Cb 0.37 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2f76 h GLU 9 CO 0.01 0.87 -0.05 0.00 -1.00 0.00 0.00 179.01 178.83 2f76 h ARG 10 N 1.28 0.82 0.11 2.33 3.08 -1.43 -1.94 114.38 118.63 2f76 h ARG 10 Ca 0.33 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2f76 h ARG 10 Cb -0.07 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2f76 h ARG 10 CO -0.06 0.86 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.71 2f76 h TYR 11 N 0.75 -0.15 -0.26 3.04 5.03 -0.94 0.00 116.97 124.43 2f76 h TYR 11 Ca 0.14 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 2f76 h TYR 11 Cb 0.53 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 2f76 h TYR 11 CO 0.03 -0.10 -0.16 -0.24 -1.32 0.00 0.00 178.16 176.38 2f76 h VAL 12 N -0.16 1.23 -0.52 1.81 3.04 -1.42 -2.57 116.25 117.66 2f76 h VAL 12 Ca -0.01 -1.05 -0.09 0.00 -1.01 0.00 0.00 66.70 64.54 2f76 h VAL 12 Cb 0.13 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.59 2f76 h VAL 12 CO 0.02 0.34 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.56 2f76 h GLU 13 N 0.42 0.90 -0.86 4.17 5.08 -1.00 -2.41 114.58 120.88 2f76 h GLU 13 Ca 0.08 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2f76 h GLU 13 Cb 0.52 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2f76 h GLU 13 CO 0.03 0.91 0.46 1.96 -1.00 0.00 0.00 179.01 181.37 2f76 h GLN 14 N 0.82 1.22 -0.68 2.33 4.20 -0.60 -2.20 115.11 120.19 2f76 h GLN 14 Ca 0.15 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2f76 h GLN 14 Cb 0.53 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2f76 h GLN 14 CO 0.03 0.90 0.32 -0.07 -0.67 0.00 0.00 178.83 179.35 2f76 h LEU 15 N 1.21 0.89 -0.42 1.46 3.38 -1.23 -2.64 115.31 117.97 2f76 h LEU 15 Ca 0.30 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.21 2f76 h LEU 15 Cb 0.06 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 2f76 h LEU 15 CO -0.05 0.78 0.07 0.50 0.09 0.00 0.00 178.44 179.83 2f76 h LYS 16 N 0.94 0.18 0.19 1.13 3.64 -0.92 0.41 116.57 122.14 2f76 h LYS 16 Ca 0.23 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2f76 h LYS 16 Cb 0.12 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2f76 h LYS 16 CO -0.03 0.12 -0.11 1.96 -2.27 0.00 0.00 179.45 179.12 2f76 h GLN 17 N 0.19 -0.28 0.12 1.90 1.08 -1.22 0.50 115.11 117.41 2f76 h GLN 17 Ca 0.20 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 2f76 h GLN 17 Cb 0.26 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2f76 h GLN 17 CO -0.28 -0.19 -0.06 0.00 -0.95 0.00 0.00 178.83 177.36 2f76 h ALA 18 N 0.52 -0.16 -0.53 3.87 0.00 -1.13 -2.59 119.26 119.25 2f76 h ALA 18 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2f76 h ALA 18 Cb 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2f76 h ALA 18 CO 0.02 -0.48 0.15 -0.07 0.00 0.00 0.00 179.25 178.87 2f76 h LEU 19 N -0.38 0.74 -1.30 0.00 4.07 -0.19 -2.29 115.31 115.95 2f76 h LEU 19 Ca -0.02 -0.12 0.02 0.00 0.08 0.00 0.00 57.88 57.85 2f76 h LEU 19 Cb 0.31 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 2f76 h LEU 19 CO 0.03 0.71 0.49 0.50 -1.08 0.00 0.00 178.44 179.08 2f76 h LYS 20 N 0.77 0.91 0.00 1.13 3.64 0.12 0.11 116.57 123.25 2f76 h LYS 20 Ca 0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2f76 h LYS 20 Cb 0.25 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2f76 h LYS 20 CO -0.01 0.60 0.00 0.25 -2.27 0.00 0.00 179.45 178.02 2f76 n THR 21 N -4.44 0.69 1.27 1.00 -2.24 -0.88 -2.35 114.28 107.33 2f76 n THR 21 Ca 0.09 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 2f76 n THR 21 Cb 0.09 -0.89 0.40 0.00 -2.10 0.00 0.00 70.33 67.82 2f76 n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2f76 n ARG 22 N -2.02 0.89 0.00 -0.78 5.12 0.34 -4.89 116.66 115.33 2f76 n ARG 22 Ca 0.04 -0.52 0.00 0.00 -1.93 0.00 0.00 57.85 55.44 2f76 n ARG 22 Cb 0.29 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 2f76 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f76 n GLY 23 N 1.33 1.69 3.72 -0.13 0.00 -0.99 -4.96 105.19 105.83 2f76 n GLY 23 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2f76 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f76 s VAL 24 N -2.00 5.11 -0.61 1.61 1.01 -0.95 -5.00 120.40 119.57 2f76 s VAL 24 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.11 2f76 s VAL 24 Cb 0.00 -3.29 0.19 0.00 0.00 0.00 0.00 36.38 33.28 2f76 s VAL 24 CO 0.00 0.49 0.52 1.17 0.00 0.00 0.00 175.10 177.29 2f76 n LYS 25 N 3.14 1.58 -4.17 2.72 4.81 -1.26 -4.19 118.16 120.78 2f76 n LYS 25 Ca -0.17 -4.17 -0.18 0.00 -0.87 0.00 0.00 58.31 52.91 2f76 n LYS 25 Cb 0.53 -2.08 -0.15 0.00 0.02 0.00 0.00 35.03 33.35 2f76 n LYS 25 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2f76 s VAL 26 N -1.37 0.48 0.78 3.15 -7.23 -1.26 -5.13 120.40 109.81 2f76 s VAL 26 Ca 0.31 -0.17 -0.14 0.00 -1.81 0.00 0.00 61.98 60.16 2f76 s VAL 26 Cb 0.03 -0.46 0.06 0.00 0.56 0.00 0.00 36.38 36.57 2f76 s VAL 26 CO -0.14 0.17 1.17 0.29 -0.31 0.00 0.00 175.10 176.29 2f76 n LYS 27 N 3.49 0.36 -0.11 4.82 5.02 -1.26 -4.91 118.16 125.57 2f76 n LYS 27 Ca -0.20 0.19 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2f76 n LYS 27 Cb 0.54 -2.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.13 2f76 n LYS 27 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2f76 h TYR 28 N -0.61 0.44 -0.74 2.13 3.20 -1.99 -1.99 116.97 117.40 2f76 h TYR 28 Ca -0.47 0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.54 2f76 h TYR 28 Cb 1.31 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.38 2f76 h TYR 28 CO 0.44 0.27 0.49 0.00 -1.64 0.00 0.00 178.16 177.72 2f76 h ALA 29 N 1.14 2.00 0.01 1.82 0.00 -1.99 -1.49 119.26 120.76 2f76 h ALA 29 Ca 0.14 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2f76 h ALA 29 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2f76 h ALA 29 CO -0.04 -0.19 -0.13 0.22 0.00 0.00 0.00 179.25 179.11 2f76 h ASP 30 N 0.50 -0.39 -0.64 0.00 1.82 -1.71 0.32 116.42 116.32 2f76 h ASP 30 Ca 0.36 0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.99 2f76 h ASP 30 Cb 0.70 0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.84 2f76 h ASP 30 CO -0.12 -0.19 0.14 -0.07 -1.61 0.00 0.00 179.24 177.39 2f76 h LEU 31 N -0.23 0.99 -0.31 2.28 3.38 -1.35 0.11 115.31 120.18 2f76 h LEU 31 Ca 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2f76 h LEU 31 Cb 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2f76 h LEU 31 CO -0.13 0.98 0.17 0.25 0.09 0.00 0.00 178.44 179.80 2f76 h LEU 32 N 0.96 0.38 -0.49 1.67 5.85 -0.87 0.22 115.31 123.03 2f76 h LEU 32 Ca 0.20 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2f76 h LEU 32 Cb 0.39 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2f76 h LEU 32 CO 0.01 0.35 0.09 0.11 -0.34 0.00 0.00 178.44 178.66 2f76 h LYS 33 N 0.38 0.81 -0.57 1.25 1.57 -0.21 -1.62 116.57 118.19 2f76 h LYS 33 Ca 0.11 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2f76 h LYS 33 Cb 0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2f76 h LYS 33 CO -0.02 0.81 0.29 0.35 -0.57 0.00 0.00 179.45 180.31 2f76 h PHE 34 N 0.69 0.80 -0.93 -1.35 3.57 -0.43 0.40 116.94 119.68 2f76 h PHE 34 Ca 0.15 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2f76 h PHE 34 Cb 0.38 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2f76 h PHE 34 CO 0.03 0.61 0.54 0.74 -2.23 0.00 0.00 178.31 178.00 2f76 h PHE 35 N 0.77 1.25 0.00 0.41 0.04 -0.38 -1.32 116.94 117.71 2f76 h PHE 35 Ca 0.20 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 2f76 h PHE 35 Cb 0.09 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 2f76 h PHE 35 CO -0.01 0.84 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.77 2f76 h ASP 36 N 1.30 0.00 0.27 2.17 3.32 -0.87 -2.65 116.42 119.96 2f76 h ASP 36 Ca 0.33 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 2f76 h ASP 36 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2f76 h ASP 36 CO -0.06 0.33 -0.13 0.15 -1.72 0.00 0.00 179.24 177.82 2f76 h PHE 37 N 0.00 -0.34 -0.38 4.55 3.04 0.26 0.60 116.94 124.67 2f76 h PHE 37 Ca -0.00 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 2f76 h PHE 37 Cb 0.88 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 2f76 h PHE 37 CO 0.00 -0.10 -0.25 -0.24 -2.02 0.00 0.00 178.31 175.70 2f76 h VAL 38 N -0.52 1.27 -0.57 1.41 3.04 -1.54 -2.88 116.25 116.46 2f76 h VAL 38 Ca -0.04 -1.38 -0.05 0.00 -1.01 0.00 0.00 66.70 64.22 2f76 h VAL 38 Cb 0.39 1.25 -0.03 0.00 -2.01 0.00 0.00 31.29 30.89 2f76 h VAL 38 CO 0.06 0.46 0.14 0.11 -1.01 0.00 0.00 177.57 177.33 2f76 h LYS 39 N 0.67 0.88 -0.09 4.17 1.57 -1.39 4.07 116.57 126.45 2f76 h LYS 39 Ca 0.09 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2f76 h LYS 39 Cb 0.77 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 2f76 h LYS 39 CO 0.06 0.79 0.04 -0.44 -0.57 0.00 0.00 179.45 179.33 2f76 h ASP 40 N 0.85 0.12 0.19 0.86 3.32 -0.67 -2.77 116.42 118.31 2f76 h ASP 40 Ca 0.19 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2f76 h ASP 40 Cb 0.30 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2f76 h ASP 40 CO -0.00 0.21 -1.63 0.35 -1.72 0.00 0.00 179.24 176.45 2f76 n THR 41 N -4.96 0.11 -3.37 0.35 -2.24 -1.11 -4.73 114.28 98.32 2f76 n THR 41 Ca -0.06 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 2f76 n THR 41 Cb 0.09 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 h PRO 43 N 6.18 0.91 -6.78 0.00 0.11 -1.50 -3.16 132.00 127.76 2f76 h PRO 43 Ca 0.17 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.71 2f76 h PRO 43 Cb 0.96 -0.21 0.04 0.00 0.11 0.00 0.00 31.00 31.90 2f76 h PRO 43 CO 0.30 0.60 0.58 1.67 -0.21 0.00 0.00 178.00 180.93 2f76 s TRP 44 N -5.83 3.32 -0.32 0.65 -2.14 -1.26 -4.84 118.94 108.52 2f76 s TRP 44 Ca -0.11 1.47 0.16 0.00 2.66 0.00 0.00 56.10 60.28 2f76 s TRP 44 Cb 0.20 -3.50 0.45 0.00 -3.10 0.00 0.00 33.47 27.52 2f76 s TRP 44 CO 0.79 -1.34 1.31 1.97 -2.66 0.00 0.00 176.95 177.02 2f76 n PHE 45 N 1.59 -0.65 -1.17 1.66 -1.74 -1.26 -4.95 117.46 110.94 2f76 n PHE 45 Ca 0.02 -2.01 -0.38 0.00 -0.56 0.00 0.00 57.45 54.52 2f76 n PHE 45 Cb 0.43 0.75 0.03 0.00 1.52 0.00 0.00 39.48 42.21 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 2f76 n PRO 46 N -0.94 0.04 -3.72 3.97 -0.02 -1.26 -5.02 135.00 128.06 2f76 n PRO 46 Ca -0.04 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.35 2f76 n PRO 46 Cb 0.84 -1.12 -0.06 0.00 -0.02 0.00 0.00 33.50 33.14 2f76 n PRO 46 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2f76 s GLN 47 N -1.56 0.93 0.05 -0.52 0.74 -1.26 -4.74 119.66 113.30 2f76 s GLN 47 Ca 0.53 -0.67 -0.01 0.00 0.05 0.00 0.00 55.36 55.25 2f76 s GLN 47 Cb -0.38 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.10 2f76 s GLN 47 CO 0.70 -0.33 -0.02 -2.00 -0.55 0.00 0.00 175.29 173.09 2f76 s GLU 48 N -3.33 0.57 0.19 1.67 2.12 -1.26 -5.05 118.70 113.60 2f76 s GLU 48 Ca 0.00 -1.09 -0.16 0.00 0.36 0.00 0.00 54.97 54.08 2f76 s GLU 48 Cb 0.02 0.20 0.17 0.00 0.26 0.00 0.00 34.13 34.78 2f76 s GLU 48 CO -0.08 -0.11 1.31 0.41 -0.54 0.00 0.00 175.26 176.25 2f76 n GLY 49 N 0.37 -1.79 3.80 -1.50 0.00 -1.26 -4.31 105.19 100.51 2f76 n GLY 49 Ca -0.16 0.95 -0.30 0.00 0.00 0.00 0.00 46.02 46.51 2f76 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f76 s THR 50 N -5.75 3.17 -0.38 2.61 -4.23 -1.26 -4.85 115.64 104.94 2f76 s THR 50 Ca -0.11 0.38 -0.35 0.00 -1.18 0.00 0.00 61.69 60.43 2f76 s THR 50 Cb 0.16 -3.11 -0.12 0.00 1.34 0.00 0.00 72.50 70.78 2f76 s THR 50 CO 0.59 -0.50 2.22 -0.38 -0.54 0.00 0.00 174.62 176.01 2f76 n ILE 51 N -3.42 0.16 -0.03 2.99 5.41 -1.26 -4.69 119.36 118.53 2f76 n ILE 51 Ca 0.07 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2f76 n ILE 51 Cb 0.56 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 2f76 n ILE 51 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2f76 n ASP 52 N 10.05 0.03 0.16 4.38 2.03 -1.26 -4.69 116.55 127.25 2f76 n ASP 52 Ca 0.42 -0.32 0.13 0.00 0.52 0.00 0.00 54.79 55.54 2f76 n ASP 52 Cb 0.23 0.51 0.56 0.00 -0.72 0.00 0.00 41.12 41.70 2f76 n ASP 52 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2f76 h ILE 53 N 0.03 0.00 -1.27 5.18 2.04 -1.85 -3.00 117.51 118.64 2f76 h ILE 53 Ca 0.00 -0.20 0.37 0.00 1.00 0.00 0.00 64.86 66.03 2f76 h ILE 53 Cb 0.01 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2f76 h ILE 53 CO 0.00 0.00 0.89 0.11 0.00 0.00 0.00 178.15 179.15 2f76 h LYS 54 N 0.00 0.09 -0.67 2.37 1.57 -1.96 1.14 116.57 119.11 2f76 h LYS 54 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2f76 h LYS 54 Cb 0.29 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2f76 h LYS 54 CO 0.00 0.06 0.10 0.00 -0.57 0.00 0.00 179.45 179.05 2f76 h ARG 55 N 0.10 1.11 0.07 3.15 3.08 -1.92 0.07 114.38 120.04 2f76 h ARG 55 Ca 0.65 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 2f76 h ARG 55 Cb 2.33 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 32.25 2f76 h ARG 55 CO -0.12 1.02 -0.03 2.35 -1.07 0.00 0.00 179.97 182.11 2f76 h TRP 56 N 1.04 -0.08 -0.58 3.04 7.01 0.11 -2.69 115.95 123.80 2f76 h TRP 56 Ca 0.20 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.16 2f76 h TRP 56 Cb 0.45 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 2f76 h TRP 56 CO 0.03 0.05 0.20 0.00 -2.79 0.00 0.00 178.44 175.93 2f76 h ARG 57 N -0.20 0.86 -0.87 2.65 3.08 -1.38 -2.48 114.38 116.04 2f76 h ARG 57 Ca -0.01 -0.15 0.12 0.00 0.07 0.00 0.00 59.98 60.01 2f76 h ARG 57 Cb 0.17 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 2f76 h ARG 57 CO 0.01 0.73 0.50 0.00 -1.07 0.00 0.00 179.97 180.14 2f76 h ARG 58 N 0.84 0.77 -0.44 0.04 3.08 -0.71 0.43 114.38 118.39 2f76 h ARG 58 Ca 0.20 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2f76 h ARG 58 Cb 0.21 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2f76 h ARG 58 CO -0.01 0.51 0.09 0.28 -1.07 0.00 0.00 179.97 179.76 2f76 h VAL 59 N 0.79 1.24 0.07 2.04 2.07 -1.13 -2.38 116.25 118.94 2f76 h VAL 59 Ca 0.44 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2f76 h VAL 59 Cb 0.48 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2f76 h VAL 59 CO -0.28 0.30 -0.03 1.23 0.02 0.00 0.00 177.57 178.80 2f76 h GLY 60 N 0.59 -0.10 0.04 2.17 0.00 -0.91 0.12 103.07 104.98 2f76 h GLY 60 Ca 0.14 0.04 0.19 0.00 0.00 0.00 0.00 47.33 47.69 2f76 h GLY 60 CO 0.00 -0.04 0.48 -0.55 0.00 0.00 0.00 176.54 176.44 2f76 h ASP 61 N -0.39 0.55 0.26 0.19 3.32 -0.19 1.14 116.42 121.30 2f76 h ASP 61 Ca -0.01 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2f76 h ASP 61 Cb 0.34 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2f76 h ASP 61 CO 0.02 0.16 -0.13 0.00 -1.72 0.00 0.00 179.24 177.57 2f76 h PHE 63 N -0.96 0.42 -0.53 0.00 0.04 -0.32 -2.00 116.94 113.59 2f76 h PHE 63 Ca -0.04 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.81 2f76 h PHE 63 Cb 0.48 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 2f76 h PHE 63 CO 0.05 0.28 0.36 1.96 -0.60 0.00 0.00 178.31 180.35 2f76 h GLN 64 N 0.44 0.44 -0.12 1.51 4.20 0.12 0.35 115.11 122.06 2f76 h GLN 64 Ca 0.12 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2f76 h GLN 64 Cb -0.03 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2f76 h GLN 64 CO -0.03 0.29 -0.02 0.22 -0.67 0.00 0.00 178.83 178.63 2f76 h ASP 65 N 0.45 -0.08 0.04 1.46 1.82 -0.85 0.51 116.42 119.76 2f76 h ASP 65 Ca 0.23 0.03 -0.19 0.00 -0.39 0.00 0.00 57.03 56.71 2f76 h ASP 65 Cb 0.34 0.06 0.02 0.00 0.68 0.00 0.00 39.33 40.43 2f76 h ASP 65 CO -0.06 -0.03 -0.78 1.88 -1.61 0.00 0.00 179.24 178.64 2f76 h TYR 66 N 0.02 0.72 -0.50 0.28 0.05 -1.26 -2.79 116.97 113.48 2f76 h TYR 66 Ca 0.06 -0.42 0.01 0.00 0.05 0.00 0.00 58.73 58.43 2f76 h TYR 66 Cb 0.08 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 2f76 h TYR 66 CO -0.15 1.26 0.32 1.88 -1.05 0.00 0.00 178.16 180.41 2f76 h TYR 67 N -0.02 0.60 -0.61 4.88 -1.99 -0.24 0.22 116.97 119.80 2f76 h TYR 67 Ca -0.11 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 2f76 h TYR 67 Cb 1.50 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 40.00 2f76 h TYR 67 CO 0.14 0.36 0.22 -0.91 -0.00 0.00 0.00 178.16 177.97 2f76 h ASN 68 N 0.64 0.87 -0.26 3.88 -0.26 -0.00 0.78 115.58 121.23 2f76 h ASN 68 Ca 0.19 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 2f76 h ASN 68 Cb -0.04 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 2f76 h ASN 68 CO -0.06 0.83 0.07 0.74 -1.06 0.00 0.00 177.43 177.95 2f76 h THR 69 N 0.86 1.21 -0.74 2.81 2.02 -1.15 -2.97 112.91 114.96 2f76 h THR 69 Ca 0.20 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2f76 h THR 69 Cb 0.25 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2f76 h THR 69 CO -0.01 0.22 0.40 -0.26 0.37 0.00 0.00 175.52 176.23 2f76 h PHE 70 N 0.26 1.02 0.00 3.16 0.04 -0.37 -3.47 116.94 117.58 2f76 h PHE 70 Ca 0.08 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2f76 h PHE 70 Cb 0.26 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2f76 h PHE 70 CO 0.01 0.73 0.00 0.41 -0.60 0.00 0.00 178.31 178.85 2f76 n GLY 71 N -1.06 2.47 3.51 -1.45 0.00 0.16 -5.09 105.19 103.73 2f76 n GLY 71 Ca 0.06 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2f76 n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2f76 n PRO 72 N 0.00 0.18 -0.10 1.61 -0.02 -0.59 -4.73 135.00 131.36 2f76 n PRO 72 Ca 0.00 -0.06 0.10 0.00 -2.02 0.00 0.00 63.50 61.53 2f76 n PRO 72 Cb 0.00 -1.78 0.34 0.00 -0.02 0.00 0.00 33.50 32.04 2f76 n PRO 72 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f76 n GLU 73 N 7.81 1.83 -0.34 -0.52 0.28 -1.26 -3.42 120.64 125.02 2f76 n GLU 73 Ca 0.61 -1.25 0.14 0.00 -0.16 0.00 0.00 57.16 56.51 2f76 n GLU 73 Cb 0.16 -1.40 0.28 0.00 1.43 0.00 0.00 31.44 31.90 2f76 n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2f76 n LYS 74 N 0.48 -0.08 -3.85 3.44 4.81 -1.26 -2.63 118.16 119.07 2f76 n LYS 74 Ca 0.16 1.46 -0.32 0.00 -0.87 0.00 0.00 58.31 58.74 2f76 n LYS 74 Cb 0.36 -2.32 -0.12 0.00 0.02 0.00 0.00 35.03 32.97 2f76 n LYS 74 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2f76 s VAL 75 N -5.98 3.10 0.55 3.15 -7.23 -1.26 -4.78 120.40 107.95 2f76 s VAL 75 Ca -0.13 -3.34 -0.21 0.00 -1.81 0.00 0.00 61.98 56.50 2f76 s VAL 75 Cb 0.29 -3.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.09 2f76 s VAL 75 CO 0.76 -0.86 1.09 -2.65 -0.31 0.00 0.00 175.10 173.13 2f76 n PRO 76 N 3.07 1.23 0.24 4.82 -0.02 -1.08 -4.77 135.00 138.47 2f76 n PRO 76 Ca 0.08 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 2f76 n PRO 76 Cb 0.34 -2.26 0.59 0.00 -0.02 0.00 0.00 33.50 32.15 2f76 n PRO 76 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2f76 h VAL 77 N 0.98 0.81 0.00 -1.45 3.04 -1.92 -2.71 116.25 115.00 2f76 h VAL 77 Ca -0.48 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.44 2f76 h VAL 77 Cb 1.34 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 2f76 h VAL 77 CO 0.54 0.19 0.25 0.35 -1.01 0.00 0.00 177.57 177.89 2f76 n THR 78 N -3.83 0.87 0.24 3.17 -2.24 -1.26 -0.81 114.28 110.43 2f76 n THR 78 Ca -0.02 0.47 0.15 0.00 -2.27 0.00 0.00 64.05 62.39 2f76 n THR 78 Cb 0.29 -1.47 0.84 0.00 -2.10 0.00 0.00 70.33 67.90 2f76 n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 h ALA 79 N 0.92 1.73 -0.17 6.98 0.00 -1.85 -1.98 119.26 124.89 2f76 h ALA 79 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2f76 h ALA 79 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2f76 h ALA 79 CO 0.00 -0.15 0.11 0.35 0.00 0.00 0.00 179.25 179.56 2f76 h PHE 80 N 0.00 0.22 -0.54 0.00 3.04 -1.27 0.13 116.94 118.52 2f76 h PHE 80 Ca 0.05 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 2f76 h PHE 80 Cb 0.25 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 2f76 h PHE 80 CO 0.00 0.16 0.19 0.66 -2.02 0.00 0.00 178.31 177.30 2f76 h SER 81 N 0.22 0.77 -0.92 0.41 4.64 -1.60 -2.20 113.55 114.87 2f76 h SER 81 Ca 0.06 -0.19 0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2f76 h SER 81 Cb -0.00 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.82 2f76 h SER 81 CO -0.01 0.75 0.60 0.22 -0.87 0.00 0.00 176.83 177.52 2f76 h TYR 82 N 0.74 1.06 -0.52 4.77 3.20 -1.29 -0.33 116.97 124.60 2f76 h TYR 82 Ca 0.18 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 2f76 h TYR 82 Cb 0.25 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2f76 h TYR 82 CO 0.01 0.55 0.16 2.35 -1.64 0.00 0.00 178.16 179.59 2f76 h TRP 83 N 1.04 0.79 -0.86 -3.82 7.01 -0.38 -2.44 115.95 117.28 2f76 h TRP 83 Ca 0.40 -0.06 0.11 0.00 2.11 0.00 0.00 58.89 61.45 2f76 h TRP 83 Cb 0.21 -0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 26.95 2f76 h TRP 83 CO -0.00 0.65 0.50 -0.97 -2.79 0.00 0.00 178.44 175.82 2f76 h ASN 84 N 0.76 0.69 -0.76 2.65 -0.73 -0.57 0.52 115.58 118.14 2f76 h ASN 84 Ca 0.17 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.36 2f76 h ASN 84 Cb 0.23 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 2f76 h ASN 84 CO -0.01 0.37 0.33 -0.07 -0.37 0.00 0.00 177.43 177.69 2f76 h LEU 85 N 0.80 1.03 -0.61 0.34 -0.00 -1.35 -2.64 115.31 112.88 2f76 h LEU 85 Ca 0.43 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 58.15 2f76 h LEU 85 Cb 0.44 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 2f76 h LEU 85 CO -0.27 0.90 0.32 0.40 -0.00 0.00 0.00 178.44 179.78 2f76 h ILE 86 N 1.11 1.20 -0.69 1.22 2.04 -0.82 -1.79 117.51 119.78 2f76 h ILE 86 Ca 0.26 -0.54 0.11 0.00 1.00 0.00 0.00 64.86 65.69 2f76 h ILE 86 Cb 0.17 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 2f76 h ILE 86 CO -0.03 0.23 0.30 0.11 0.00 0.00 0.00 178.15 178.76 2f76 h LYS 87 N 0.82 0.48 -0.08 2.37 1.57 -0.91 0.36 116.57 121.18 2f76 h LYS 87 Ca 0.21 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2f76 h LYS 87 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2f76 h LYS 87 CO -0.03 0.32 -0.22 0.93 -0.57 0.00 0.00 179.45 179.88 2f76 h GLU 88 N 0.50 0.14 0.04 3.15 5.08 -1.26 0.10 114.58 122.33 2f76 h GLU 88 Ca 0.35 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2f76 h GLU 88 Cb 0.44 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2f76 h GLU 88 CO -0.32 0.36 -0.02 1.25 -1.00 0.00 0.00 179.01 179.28 2f76 h LEU 89 N 0.13 -0.05 -0.38 1.33 5.85 0.40 -3.32 115.31 119.28 2f76 h LEU 89 Ca 0.02 -0.57 -0.09 0.00 0.84 0.00 0.00 57.88 58.09 2f76 h LEU 89 Cb 0.46 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2f76 h LEU 89 CO 0.03 0.57 -0.10 0.40 -0.34 0.00 0.00 178.44 179.00 2f76 h ILE 90 N -0.69 1.28 -1.79 4.05 2.04 -0.60 -2.90 117.51 118.90 2f76 h ILE 90 Ca -0.01 -1.19 0.52 0.00 1.00 0.00 0.00 64.86 65.19 2f76 h ILE 90 Cb 0.61 1.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 2f76 h ILE 90 CO 0.01 0.39 1.28 -0.78 0.00 0.00 0.00 178.15 179.06 2f76 h ASP 91 N 0.54 0.01 -0.71 1.72 3.58 -0.90 1.25 116.42 121.91 2f76 h ASP 91 Ca 0.09 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2f76 h ASP 91 Cb 0.62 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 2f76 h ASP 91 CO 0.04 -0.01 0.38 0.11 -2.88 0.00 0.00 179.24 176.88 2f76 h LYS 92 N 0.00 1.01 -7.22 0.28 1.79 -1.60 -3.38 116.57 107.44 2f76 h LYS 92 Ca 0.86 -0.13 -0.52 0.00 -2.18 0.00 0.00 60.65 58.68 2f76 h LYS 92 Cb 3.42 -0.19 0.15 0.00 -1.58 0.00 0.00 32.23 34.03 2f76 h LYS 92 CO -0.03 0.76 0.34 0.15 -1.08 0.00 0.00 179.45 179.59 2f76 s LYS 93 N -5.81 2.02 0.00 3.15 1.02 0.43 -2.12 119.74 118.44 2f76 s LYS 93 Ca -0.13 1.56 0.00 0.00 0.02 0.00 0.00 55.97 57.43 2f76 s LYS 93 Cb 0.14 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 2f76 s LYS 93 CO 0.80 -1.88 0.00 0.39 -0.92 0.00 0.00 175.35 173.74 2f76 n GLU 94 N -3.12 -0.88 -4.82 1.68 -0.58 -1.26 -4.89 120.64 106.77 2f76 n GLU 94 Ca 0.12 0.20 -0.29 0.00 -0.42 0.00 0.00 57.16 56.77 2f76 n GLU 94 Cb 0.51 -4.43 -0.17 0.00 -0.57 0.00 0.00 31.44 26.78 2f76 n GLU 94 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2f76 s VAL 95 N -0.91 1.63 -1.31 2.62 1.01 -0.90 -4.79 120.40 117.75 2f76 s VAL 95 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 2f76 s VAL 95 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2f76 s VAL 95 CO 0.00 0.46 0.53 0.59 0.00 0.00 0.00 175.10 176.68 2f76 n ASN 96 N 3.78 -2.32 0.28 3.32 5.03 -1.26 -4.82 115.26 119.26 2f76 n ASN 96 Ca -0.20 -1.09 0.16 0.00 0.87 0.00 0.00 54.58 54.31 2f76 n ASN 96 Cb 0.52 -2.75 0.80 0.00 -1.02 0.00 0.00 39.78 37.32 2f76 n ASN 96 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2f76 h PRO 97 N -1.99 0.00 -0.51 3.52 0.13 -1.87 -2.87 132.00 128.41 2f76 h PRO 97 Ca -0.66 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.42 2f76 h PRO 97 Cb 1.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 2f76 h PRO 97 CO 0.57 0.07 0.12 0.37 -0.23 0.00 0.00 178.00 178.90 2f76 h GLN 98 N 0.00 0.82 -5.47 0.86 5.75 -2.01 -3.42 115.11 111.64 2f76 h GLN 98 Ca -0.00 -0.20 -0.63 0.00 -0.15 0.00 0.00 58.65 57.67 2f76 h GLN 98 Cb 0.34 -0.11 -0.32 0.00 1.07 0.00 0.00 27.48 28.47 2f76 h GLN 98 CO 0.01 0.79 -0.86 0.08 -2.65 0.00 0.00 178.83 176.20 2f76 s VAL 99 N -5.29 1.74 -2.10 2.39 1.01 -1.08 -5.28 120.40 111.78 2f76 s VAL 99 Ca -0.13 -0.87 0.31 0.00 0.00 0.00 0.00 61.98 61.29 2f76 s VAL 99 Cb 0.12 -1.50 0.84 0.00 0.00 0.00 0.00 36.38 35.84 2f76 s VAL 99 CO 0.80 0.49 2.13 0.23 0.00 0.00 0.00 175.10 178.75